pentafluoro(3H-indol-2-yl)-λ6-sulfane

C8H6F5NS — CID 158591346

IUPACpentafluoro(3H-indol-2-yl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)C1=Nc2ccccc2C1
InChIInChI=1S/C8H6F5NS/c9-15(10,11,12,13)8-5-6-3-1-2-4-7(6)14-8/h1-4H,5H2
InChIKeyMLDYEPZHIOZZSC-UHFFFAOYSA-N
MW243.20 g/mol
LogP4.57
Rot. Bonds

About pentafluoro(3H-indol-2-yl)-λ6-sulfane

pentafluoro(3H-indol-2-yl)-λ6-sulfane (PubChem CID 158591346) has the molecular formula C8H6F5NS and a molecular weight of 243.20 g/mol. Its IUPAC name is pentafluoro(3H-indol-2-yl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(3H-indol-2-yl)-λ6-sulfane
PubChem CID158591346
Molecular FormulaC8H6F5NS
Molecular Weight243.20 g/mol
Exact Mass243.01
IUPAC Namepentafluoro(3H-indol-2-yl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)C1=Nc2ccccc2C1
InChIInChI=1S/C8H6F5NS/c9-15(10,11,12,13)8-5-6-3-1-2-4-7(6)14-8/h1-4H,5H2
InChIKeyMLDYEPZHIOZZSC-UHFFFAOYSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pentafluoro(3H-indol-2-yl)-λ6-sulfane?
The IUPAC name of pentafluoro(3H-indol-2-yl)-λ6-sulfane (CID 158591346) is pentafluoro(3H-indol-2-yl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(3H-indol-2-yl)-λ6-sulfane?
The canonical SMILES for pentafluoro(3H-indol-2-yl)-λ6-sulfane is FS(F)(F)(F)(F)C1=Nc2ccccc2C1.
What is the InChIKey of pentafluoro(3H-indol-2-yl)-λ6-sulfane?
The InChIKey is MLDYEPZHIOZZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NS/c9-15(10,11,12,13)8-5-6-3-1-2-4-7(6)14-8/h1-4H,5H2.
What are the key properties of pentafluoro(3H-indol-2-yl)-λ6-sulfane?
pentafluoro(3H-indol-2-yl)-λ6-sulfane has a molecular weight of 243.20 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(3H-indol-2-yl)-λ6-sulfane is sourced from PubChem (CID 158591346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).